1-(3-chloranyl-2-methyl-phenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxidanylidene-piperazine-2-carboxamide Openeye Name: 1-(3-chloro-2-methyl-phenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-piperazine-2-carboxamide CAS Name: 1-(3-chloro-2-methylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-2-piperazinecarboxamide IUPAC Name: 1-(3-chloro-2-methylphenyl)-4-ethylsulfonyl-N-[(4-fluorophenyl)methyl]-2-methyl-6-oxopiperazine-2-carboxamide Traditional Name: 1-(3-chloro-2-methyl-phenyl)-4-esyl-N-(4-fluorobenzyl)-6-keto-2-methyl-piperazine-2-carboxamide Formula: C22H25ClFN3O4S MolecularWeight: 481.968003

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=C(C(=CC=C3)Cl)C

Isomeric SMILES

CCS(=O)(=O)N1CC(=O)N(C(C1)(C)C(=O)NCC2=CC=C(C=C2)F)C3=C(C(=CC=C3)Cl)C

InChI

InChI=1S/C22H25ClFN3O4S/c1-4-32(30,31)26-13-20(28)27(19-7-5-6-18(23)15(19)2)22(3,14-26)21(29)25-12-16-8-10-17(24)11-9-16/h5-11H,4,12-14H2,1-3H3,(H,25,29)